SCHEMBL27748142

SCHEMBL27748142

Cc1nnnn1-c1cc(-c2ccccc2)c(F)c(C(=O)O)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.35
PTGS2 P35354 1/20 0.34
NOTUM Q6P988 1/20 0.34
DHODH Q02127 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MDM2 Q00987 1/20 0.34
DHFR P00374 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27769340 0.92 KCNN4 (0.37) KCNN4TSHRALDH1A1LMNAHSD17B10
SCHEMBL27769338 0.91 ALDH1A1 (0.39) KCNN4TSHRALDH1A1LMNADHODH
SCHEMBL27925722 0.90 DHODH (0.39) KCNN4TSHRALDH1A1LMNADHODH
SCHEMBL27748148 0.86 KCNN4 (0.37) KCNN4ALDH1A1DHODH
SCHEMBL27769320 0.78 KCNN4 (0.38) KCNN4ALDH1A1DHODHMDM2
SCHEMBL27907613 0.78 CNR2 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL27769411 0.77 KCNN4 (0.41) KCNN4TSHRALDH1A1LMNADHODH
SCHEMBL27748198 0.76 LMNA (0.38) KCNN4TSHRALDH1A1LMNAPTGS2
SCHEMBL27769329 0.76 ALDH1A1 (0.36) KCNN4TSHRALDH1A1LMNAHSD17B10
SCHEMBL27769300 0.76 AKR1C2 (0.43) TSHRALDH1A1LMNAHSD17B10NOTUM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101479250-B Tetrazole-substituted arylamides HOFFMANN LA ROCHE 2013-05-22 CN disclosed
CN-101479250-A Tetrazole-substituted arylamides HOFFMANN LA ROCHE (CH) 2009-07-08 CN disclosed